#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blr n ASN 2 N 0.00 1.04 0.03 3.54 3.02 -1.26 -4.79 115.26 116.84 1blr n ASN 2 Ca 0.00 -2.44 0.11 0.00 -0.03 0.00 0.00 54.58 52.22 1blr n ASN 2 Cb 0.00 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 1blr n ASN 2 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1blr n PHE 3 N -0.03 0.30 -1.74 3.10 3.01 -1.26 -4.88 117.46 115.96 1blr n PHE 3 Ca 0.08 0.09 -0.43 0.00 1.01 0.00 0.00 57.45 58.20 1blr n PHE 3 Cb 0.95 -0.48 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 1blr n PHE 3 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1blr s SER 4 N -4.07 5.92 0.00 4.37 0.01 -1.26 -4.67 113.70 114.00 1blr s SER 4 Ca 0.03 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1blr s SER 4 Cb 0.14 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1blr s SER 4 CO 0.81 -1.57 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1blr n GLY 5 N 5.20 3.77 3.83 3.44 0.00 -0.86 -4.98 105.19 115.60 1blr n GLY 5 Ca 0.25 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1blr n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1blr s ASN 6 N 0.00 6.35 -0.05 1.61 3.84 -1.26 -2.01 114.94 123.42 1blr s ASN 6 Ca 0.00 1.63 0.02 0.00 0.21 0.00 0.00 52.86 54.72 1blr s ASN 6 Cb 0.00 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.20 1blr s ASN 6 CO 0.00 -0.78 -0.09 0.26 -2.79 0.00 0.00 177.10 173.70 1blr s TRP 7 N -2.61 1.11 0.33 0.43 0.52 -0.99 -2.13 118.94 115.59 1blr s TRP 7 Ca 0.60 -0.36 -0.03 0.00 0.02 0.00 0.00 56.10 56.33 1blr s TRP 7 Cb -0.12 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.31 1blr s TRP 7 CO 0.34 -0.21 0.58 0.15 0.02 0.00 0.00 176.95 177.83 1blr s LYS 8 N 0.64 3.57 0.28 4.98 3.01 -0.58 -3.03 119.74 128.61 1blr s LYS 8 Ca -0.11 -0.09 -0.29 0.00 -1.01 0.00 0.00 55.97 54.47 1blr s LYS 8 Cb -0.14 -2.62 -0.09 0.00 -1.01 0.00 0.00 37.83 33.96 1blr s LYS 8 CO 0.02 0.15 1.01 -1.50 0.51 0.00 0.00 175.35 175.54 1blr s ILE 9 N -2.23 3.83 -0.21 2.17 -1.16 -1.26 -2.82 121.20 119.52 1blr s ILE 9 Ca 0.43 1.77 -0.07 0.00 -0.51 0.00 0.00 60.65 62.28 1blr s ILE 9 Cb -0.10 -4.10 0.10 0.00 0.61 0.00 0.00 42.46 38.96 1blr s ILE 9 CO 0.34 0.37 0.42 -0.63 -2.81 0.00 0.00 174.94 172.63 1blr s ILE 10 N -1.25 -0.66 0.20 2.00 1.09 0.04 -4.88 121.20 117.74 1blr s ILE 10 Ca 0.45 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1blr s ILE 10 Cb -0.27 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.43 1blr s ILE 10 CO 0.34 0.05 0.00 0.54 -0.10 0.00 0.00 174.94 175.77 1blr n ARG 11 N 5.39 -4.57 -3.64 2.79 3.00 -1.26 -0.57 116.66 117.80 1blr n ARG 11 Ca -0.08 3.32 -0.10 0.00 -0.01 0.00 0.00 57.85 60.98 1blr n ARG 11 Cb 0.49 -3.51 -0.07 0.00 0.00 0.00 0.00 32.46 29.38 1blr n ARG 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1blr s SER 12 N -0.73 -0.76 -0.32 0.55 0.15 -1.26 -2.38 113.70 108.94 1blr s SER 12 Ca 0.00 1.34 0.04 0.00 0.70 0.00 0.00 55.95 58.03 1blr s SER 12 Cb 0.00 1.34 0.27 0.00 -1.71 0.00 0.00 66.02 65.92 1blr s SER 12 CO 0.00 -0.22 1.33 1.21 1.20 0.00 0.00 173.24 176.76 1blr n GLU 13 N 3.30 0.16 0.00 5.44 2.13 -1.26 -5.01 120.64 125.39 1blr n GLU 13 Ca -0.16 -0.71 0.00 0.00 0.66 0.00 0.00 57.16 56.95 1blr n GLU 13 Cb 0.57 -0.12 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1blr n GLU 13 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1blr n ASN 14 N 0.27 2.28 -0.25 4.31 4.13 -1.26 -4.77 115.26 119.96 1blr n ASN 14 Ca -0.11 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.20 1blr n ASN 14 Cb 0.74 0.44 0.16 0.00 -1.54 0.00 0.00 39.78 39.57 1blr n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1blr h PHE 15 N 0.00 -0.00 -0.28 3.10 3.04 -1.95 0.18 116.94 121.01 1blr h PHE 15 Ca 0.00 0.05 -0.14 0.00 3.98 0.00 0.00 57.97 61.86 1blr h PHE 15 Cb 0.03 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1blr h PHE 15 CO 0.00 -0.21 -0.41 1.05 -2.02 0.00 0.00 178.31 176.72 1blr h GLU 16 N 0.12 0.69 -0.01 1.11 4.11 -1.88 -1.83 114.58 116.88 1blr h GLU 16 Ca 0.40 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1blr h GLU 16 Cb 0.70 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1blr h GLU 16 CO -0.63 0.97 0.04 1.49 0.07 0.00 0.00 179.01 180.94 1blr h GLU 17 N 0.56 0.00 -0.00 1.06 4.81 -1.03 0.78 114.58 120.76 1blr h GLU 17 Ca 0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1blr h GLU 17 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1blr h GLU 17 CO 0.09 0.00 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.21 1blr h LEU 18 N 0.00 0.08 -0.00 1.64 3.38 -0.27 -1.87 115.31 118.27 1blr h LEU 18 Ca 0.01 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1blr h LEU 18 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1blr h LEU 18 CO -0.00 0.82 -0.00 0.18 0.09 0.00 0.00 178.44 179.53 1blr n LEU 19 N -4.65 0.00 -0.03 1.67 7.99 -0.73 -1.85 117.00 119.40 1blr n LEU 19 Ca -0.09 0.16 0.03 0.00 -0.01 0.00 0.00 56.01 56.10 1blr n LEU 19 Cb 0.41 -0.16 -0.15 0.00 -0.11 0.00 0.00 43.42 43.41 1blr n LEU 19 CO 0.36 0.00 -0.79 0.29 -1.51 0.00 0.00 177.39 175.74 1blr n LYS 20 N -1.16 0.66 -0.10 3.23 5.02 0.19 -2.83 118.16 123.17 1blr n LYS 20 Ca 0.18 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1blr n LYS 20 Cb 0.19 -1.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 1blr n LYS 20 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1blr n VAL 21 N -2.51 1.43 0.32 -0.18 0.24 -0.71 -4.05 118.33 112.87 1blr n VAL 21 Ca -0.14 -0.79 0.20 0.00 -2.04 0.00 0.00 64.34 61.57 1blr n VAL 21 Cb 0.79 -0.71 1.06 0.00 -1.47 0.00 0.00 33.84 33.51 1blr n VAL 21 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1blr h LEU 22 N 0.00 0.00 0.00 1.34 8.10 -1.58 -3.45 115.31 119.72 1blr h LEU 22 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.45 1blr h LEU 22 Cb 2.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.38 1blr h LEU 22 CO 0.01 0.01 0.00 0.61 -4.11 0.00 0.00 178.44 174.96 1blr n GLY 23 N -0.97 0.75 3.47 0.17 0.00 -1.26 -5.07 105.19 102.28 1blr n GLY 23 Ca -0.03 -0.60 -0.47 0.00 0.00 0.00 0.00 46.02 44.92 1blr n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1blr n VAL 24 N 0.00 2.00 0.00 1.61 3.14 -1.13 -4.91 118.33 119.04 1blr n VAL 24 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1blr n VAL 24 Cb 0.00 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.39 1blr n VAL 24 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1blr n ASN 25 N 1.69 0.00 0.00 6.55 5.15 -1.26 -4.89 115.26 122.50 1blr n ASN 25 Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1blr n ASN 25 Cb 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1blr n ASN 25 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1blr n VAL 26 N 0.00 0.00 0.32 3.44 0.31 -1.26 -4.88 118.33 116.26 1blr n VAL 26 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1blr n VAL 26 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 1blr n VAL 26 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1blr h MET 27 N 2.44 -0.81 -6.17 5.55 2.86 -1.90 -3.44 114.93 113.47 1blr h MET 27 Ca 0.00 0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 57.41 1blr h MET 27 Cb 0.00 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1blr h MET 27 CO 0.00 -0.49 -0.64 1.28 1.06 0.00 0.00 176.91 178.12 1blr n LEU 28 N -5.37 -3.94 -1.85 1.22 7.99 -1.26 0.51 117.00 114.29 1blr n LEU 28 Ca -0.12 -0.59 -0.18 0.00 -0.01 0.00 0.00 56.01 55.11 1blr n LEU 28 Cb 0.36 -2.33 -0.05 0.00 -0.11 0.00 0.00 43.42 41.28 1blr n LEU 28 CO 0.31 -0.25 -0.19 -1.14 -1.51 0.00 0.00 177.39 174.62 1blr n ARG 29 N -2.27 -1.57 -3.28 3.23 0.00 -1.26 -3.24 116.66 108.26 1blr n ARG 29 Ca -0.19 0.99 -0.20 0.00 -0.00 0.00 0.00 57.85 58.45 1blr n ARG 29 Cb 0.61 -5.44 0.02 0.00 0.00 0.00 0.00 32.46 27.66 1blr n ARG 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1blr n LYS 30 N -2.47 -1.46 -0.53 -0.14 5.02 0.18 -4.64 118.16 114.12 1blr n LYS 30 Ca -0.19 1.34 0.44 0.00 -2.02 0.00 0.00 58.31 57.88 1blr n LYS 30 Cb 0.62 -2.19 0.68 0.00 -0.02 0.00 0.00 35.03 34.12 1blr n LYS 30 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1blr n ILE 31 N 0.41 0.00 -0.01 -0.18 2.08 -0.91 -1.49 119.36 119.26 1blr n ILE 31 Ca -0.03 1.40 -0.00 0.00 0.56 0.00 0.00 62.75 64.68 1blr n ILE 31 Cb 0.55 -2.39 -0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1blr n ILE 31 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1blr h ALA 32 N 0.82 -0.03 -3.58 -1.39 0.00 -1.89 -3.50 119.26 109.69 1blr h ALA 32 Ca 0.78 -0.00 0.36 0.00 0.00 0.00 0.00 54.91 56.05 1blr h ALA 32 Cb 3.47 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 21.08 1blr h ALA 32 CO -0.01 -0.03 -1.25 0.28 0.00 0.00 0.00 179.25 178.24 1blr n VAL 33 N -2.90 -0.81 0.07 0.00 0.31 -0.56 -4.99 118.33 109.44 1blr n VAL 33 Ca -0.00 0.90 0.00 0.00 -0.01 0.00 0.00 64.34 65.23 1blr n VAL 33 Cb 0.00 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1blr n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1blr n ALA 34 N -4.22 3.00 -2.59 3.52 0.00 -1.26 -5.02 120.51 113.95 1blr n ALA 34 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1blr n ALA 34 Cb 0.70 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.23 1blr n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1blr s ALA 35 N -2.00 3.34 0.00 0.00 0.00 -1.26 -4.54 121.76 117.30 1blr s ALA 35 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1blr s ALA 35 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1blr s ALA 35 CO 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 175.76 173.99 1blr n ALA 36 N 6.92 0.00 0.16 0.00 0.00 -1.26 -4.99 120.51 121.34 1blr n ALA 36 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1blr n ALA 36 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1blr n ALA 36 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1blr h SER 37 N 0.00 -0.36 -0.95 0.00 0.02 -2.02 -3.43 113.55 106.80 1blr h SER 37 Ca 0.00 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1blr h SER 37 Cb 0.00 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 62.47 1blr h SER 37 CO 0.00 -0.25 -0.46 -0.54 -1.14 0.00 0.00 176.83 174.44 1blr s LYS 38 N -3.92 0.99 0.03 3.45 1.02 -1.26 -5.13 119.74 114.92 1blr s LYS 38 Ca -0.06 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 1blr s LYS 38 Cb 0.01 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1blr s LYS 38 CO 0.19 -1.25 1.03 -1.25 -0.92 0.00 0.00 175.35 173.15 1blr s PRO 39 N 1.00 4.54 0.27 -1.68 0.04 -1.26 -4.84 135.00 133.07 1blr s PRO 39 Ca 0.28 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1blr s PRO 39 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1blr s PRO 39 CO -0.06 -0.07 0.10 0.00 0.04 0.00 0.00 177.00 177.02 1blr n ALA 40 N 3.75 0.39 -3.83 8.56 0.00 -1.21 -4.18 120.51 123.99 1blr n ALA 40 Ca 0.06 -1.38 -0.08 0.00 0.00 0.00 0.00 53.44 52.05 1blr n ALA 40 Cb 0.50 0.94 0.00 0.00 0.00 0.00 0.00 19.45 20.89 1blr n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1blr s VAL 41 N -2.59 0.00 -0.25 0.00 0.11 -1.17 -3.10 120.40 113.40 1blr s VAL 41 Ca 0.15 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1blr s VAL 41 Cb 0.01 -2.49 0.14 0.00 -1.53 0.00 0.00 36.38 32.51 1blr s VAL 41 CO 0.10 0.00 0.47 -1.83 -3.33 0.00 0.00 175.10 170.52 1blr s GLU 42 N -3.00 0.42 -0.05 1.54 -1.05 -0.97 -2.36 118.70 113.23 1blr s GLU 42 Ca 0.14 0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 55.77 1blr s GLU 42 Cb -0.05 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 1blr s GLU 42 CO 0.09 -0.50 0.20 0.42 0.95 0.00 0.00 175.26 176.42 1blr s ILE 43 N 2.68 5.41 -0.15 1.83 1.01 -0.85 -2.26 121.20 128.87 1blr s ILE 43 Ca 0.09 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 1blr s ILE 43 Cb -0.14 -3.49 0.05 0.00 0.01 0.00 0.00 42.46 38.89 1blr s ILE 43 CO -0.17 0.48 0.06 -0.54 0.00 0.00 0.00 174.94 174.78 1blr s LYS 44 N -1.43 0.28 0.02 2.79 1.02 -0.92 -2.02 119.74 119.48 1blr s LYS 44 Ca 0.22 -0.11 -0.02 0.00 0.02 0.00 0.00 55.97 56.07 1blr s LYS 44 Cb -0.13 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1blr s LYS 44 CO 0.11 -0.59 0.02 1.14 -0.92 0.00 0.00 175.35 175.11 1blr s GLN 45 N 2.04 0.37 -0.47 1.68 -2.07 -1.26 -0.28 119.66 119.68 1blr s GLN 45 Ca 0.02 -0.57 0.03 0.00 -1.82 0.00 0.00 55.36 53.02 1blr s GLN 45 Cb -0.15 0.14 0.14 0.00 -1.09 0.00 0.00 33.01 32.05 1blr s GLN 45 CO -0.08 -0.07 0.28 -2.00 -1.32 0.00 0.00 175.29 172.10 1blr s GLU 46 N -1.52 1.40 5.82 9.60 2.12 -0.44 -4.84 118.70 130.83 1blr s GLU 46 Ca -0.15 -2.18 0.00 0.00 0.36 0.00 0.00 54.97 53.00 1blr s GLU 46 Cb -0.09 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.91 1blr s GLU 46 CO -0.01 -1.20 0.00 0.41 -0.54 0.00 0.00 175.26 173.93 1blr n GLY 47 N 3.29 0.29 0.00 -1.50 0.00 -1.26 -3.14 105.19 102.86 1blr n GLY 47 Ca 0.12 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1blr n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1blr n ASP 48 N 6.74 0.00 -4.75 1.61 5.68 -1.26 -4.71 116.55 119.86 1blr n ASP 48 Ca 0.00 -0.71 -0.38 0.00 -0.50 0.00 0.00 54.79 53.20 1blr n ASP 48 Cb 0.00 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 1blr n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1blr s THR 49 N -2.15 5.17 0.08 2.12 2.01 -1.19 -1.12 115.64 120.57 1blr s THR 49 Ca 0.40 0.85 0.02 0.00 0.31 0.00 0.00 61.69 63.27 1blr s THR 49 Cb 0.20 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1blr s THR 49 CO 0.36 0.39 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.25 1blr s PHE 50 N 0.21 0.85 0.04 4.92 0.40 -0.35 -1.33 117.98 122.73 1blr s PHE 50 Ca 0.24 -0.75 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1blr s PHE 50 Cb -0.15 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 1blr s PHE 50 CO 0.10 -0.11 -0.11 -0.47 0.70 0.00 0.00 175.22 175.33 1blr s TYR 51 N -2.77 0.96 -0.22 0.36 6.14 0.62 -1.36 117.35 121.08 1blr s TYR 51 Ca 0.04 -0.37 -0.03 0.00 0.64 0.00 0.00 57.07 57.35 1blr s TYR 51 Cb -0.01 -0.57 0.11 0.00 0.42 0.00 0.00 41.96 41.91 1blr s TYR 51 CO -0.02 -0.00 0.27 0.42 0.64 0.00 0.00 175.55 176.85 1blr s ILE 52 N -0.94 -0.40 -0.47 3.14 1.01 -0.87 -2.17 121.20 120.50 1blr s ILE 52 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1blr s ILE 52 Cb -0.08 -0.75 0.12 0.00 0.01 0.00 0.00 42.46 41.77 1blr s ILE 52 CO 0.01 -0.22 0.28 -0.75 0.00 0.00 0.00 174.94 174.26 1blr s LYS 53 N 2.38 2.18 -1.04 2.79 2.20 -0.96 -1.51 119.74 125.79 1blr s LYS 53 Ca 0.09 -2.02 -0.19 0.00 -0.36 0.00 0.00 55.97 53.48 1blr s LYS 53 Cb -0.15 -3.64 0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1blr s LYS 53 CO -0.16 -1.11 1.34 0.99 -0.36 0.00 0.00 175.35 176.05 1blr s THR 54 N 0.80 4.45 0.37 3.43 2.01 -1.26 -2.29 115.64 123.16 1blr s THR 54 Ca 0.11 -1.51 0.04 0.00 0.31 0.00 0.00 61.69 60.64 1blr s THR 54 Cb -0.22 -4.93 -0.06 0.00 0.01 0.00 0.00 72.50 67.30 1blr s THR 54 CO -0.04 -1.71 0.06 -0.94 -0.69 0.00 0.00 174.62 171.29 1blr s SER 55 N 4.01 2.85 0.00 3.53 1.04 -1.18 -4.76 113.70 119.19 1blr s SER 55 Ca 0.41 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1blr s SER 55 Cb -0.02 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1blr s SER 55 CO -0.06 -0.65 0.00 1.07 0.98 0.00 0.00 173.24 174.57 1blr n THR 56 N -0.82 0.00 0.19 2.02 5.66 -1.26 -3.32 114.28 116.75 1blr n THR 56 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1blr n THR 56 Cb 0.66 -0.55 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1blr n THR 56 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1blr n THR 57 N -2.31 0.00 -0.32 1.09 -1.04 -1.26 -4.95 114.28 105.48 1blr n THR 57 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1blr n THR 57 Cb 0.27 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.88 1blr n THR 57 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1blr n VAL 58 N -3.26 0.00 -1.39 12.58 0.24 -1.26 -4.95 118.33 120.29 1blr n VAL 58 Ca 0.00 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 1blr n VAL 58 Cb 0.00 -0.64 0.09 0.00 -1.47 0.00 0.00 33.84 31.81 1blr n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1blr s ARG 59 N -3.82 2.28 0.12 7.34 0.52 -1.26 -5.01 118.95 119.12 1blr s ARG 59 Ca 0.25 1.38 -0.22 0.00 -0.52 0.00 0.00 55.73 56.63 1blr s ARG 59 Cb -0.04 -1.89 0.06 0.00 0.52 0.00 0.00 34.95 33.61 1blr s ARG 59 CO 0.20 -1.66 0.55 0.99 0.02 0.00 0.00 175.30 175.41 1blr s THR 60 N -2.53 0.02 0.34 0.02 2.01 -1.26 -4.94 115.64 109.29 1blr s THR 60 Ca 0.66 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 1blr s THR 60 Cb -0.21 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1blr s THR 60 CO 0.49 -0.09 0.56 0.28 -0.69 0.00 0.00 174.62 175.18 1blr s THR 61 N -3.42 5.07 -0.02 -0.82 -1.32 -1.26 -5.01 115.64 108.87 1blr s THR 61 Ca -0.00 -0.27 -0.09 0.00 -1.21 0.00 0.00 61.69 60.12 1blr s THR 61 Cb -0.00 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.17 1blr s THR 61 CO -0.10 -0.51 0.20 -1.83 -2.21 0.00 0.00 174.62 170.17 1blr s GLU 62 N -4.12 0.48 -0.56 7.08 1.03 -1.26 -4.00 118.70 117.37 1blr s GLU 62 Ca 0.42 -0.21 -0.19 0.00 0.03 0.00 0.00 54.97 55.02 1blr s GLU 62 Cb -0.10 0.21 0.09 0.00 -0.80 0.00 0.00 34.13 33.53 1blr s GLU 62 CO 0.35 -0.12 0.66 0.96 -1.33 0.00 0.00 175.26 175.78 1blr s ILE 63 N -1.08 4.87 -1.18 1.83 -4.36 -0.57 -4.86 121.20 115.86 1blr s ILE 63 Ca -0.12 -0.86 -0.10 0.00 -0.26 0.00 0.00 60.65 59.31 1blr s ILE 63 Cb -0.06 -4.41 0.22 0.00 1.25 0.00 0.00 42.46 39.47 1blr s ILE 63 CO 0.02 -0.99 1.45 -0.46 0.24 0.00 0.00 174.94 175.20 1blr n ASN 64 N 6.18 5.47 -0.11 4.36 2.04 -1.26 -2.04 115.26 129.90 1blr n ASN 64 Ca -0.09 -3.09 0.00 0.00 -0.44 0.00 0.00 54.58 50.96 1blr n ASN 64 Cb 0.43 -1.45 0.00 0.00 -2.53 0.00 0.00 39.78 36.23 1blr n ASN 64 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1blr n PHE 65 N 3.80 -0.02 -3.69 -2.53 -1.74 -0.46 -4.97 117.46 107.84 1blr n PHE 65 Ca 0.32 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 57.07 1blr n PHE 65 Cb 0.39 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.25 1blr n PHE 65 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 1blr s LYS 66 N 1.08 0.13 0.53 3.97 -2.85 -1.26 -1.21 119.74 120.14 1blr s LYS 66 Ca 0.00 0.59 0.30 0.00 -1.00 0.00 0.00 55.97 55.87 1blr s LYS 66 Cb 0.00 -0.13 1.04 0.00 -2.06 0.00 0.00 37.83 36.68 1blr s LYS 66 CO 0.00 -0.24 1.23 0.28 0.10 0.00 0.00 175.35 176.73 1blr n VAL 67 N 4.85 0.00 -0.77 1.79 0.31 -0.28 -0.53 118.33 123.71 1blr n VAL 67 Ca -0.14 1.19 -0.12 0.00 -0.01 0.00 0.00 64.34 65.26 1blr n VAL 67 Cb 0.51 -2.09 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1blr n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1blr n GLY 68 N -1.69 3.61 3.59 2.92 0.00 -1.26 -4.21 105.19 108.15 1blr n GLY 68 Ca 0.27 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1blr n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1blr s GLU 69 N -1.26 1.47 0.44 1.61 2.02 0.31 -5.11 118.70 118.18 1blr s GLU 69 Ca 0.21 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.61 1blr s GLU 69 Cb 0.17 0.60 -0.02 0.00 0.10 0.00 0.00 34.13 34.98 1blr s GLU 69 CO -0.00 -0.66 0.35 -1.83 0.02 0.00 0.00 175.26 173.14 1blr s GLU 70 N -3.81 2.43 0.35 1.61 1.03 -1.26 -3.25 118.70 115.80 1blr s GLU 70 Ca 0.05 -1.67 0.01 0.00 0.03 0.00 0.00 54.97 53.39 1blr s GLU 70 Cb -0.03 -2.26 -0.00 0.00 -0.80 0.00 0.00 34.13 31.03 1blr s GLU 70 CO -0.05 -0.25 0.04 1.19 -1.33 0.00 0.00 175.26 174.86 1blr n PHE 71 N -1.53 0.57 -4.12 4.83 3.72 -0.86 -4.94 117.46 115.13 1blr n PHE 71 Ca 0.02 -1.92 -0.12 0.00 -0.05 0.00 0.00 57.45 55.39 1blr n PHE 71 Cb 0.63 -0.15 -0.11 0.00 -0.94 0.00 0.00 39.48 38.91 1blr n PHE 71 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1blr s GLU 72 N -3.29 0.70 0.08 -1.08 2.02 -1.26 -2.29 118.70 113.56 1blr s GLU 72 Ca 0.06 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.83 1blr s GLU 72 Cb 0.00 -0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.03 1blr s GLU 72 CO 0.04 0.02 0.76 -1.91 0.02 0.00 0.00 175.26 174.20 1blr n GLU 73 N 0.67 0.33 -4.40 1.61 2.13 0.70 -4.90 120.64 116.78 1blr n GLU 73 Ca -0.17 -0.84 -0.20 0.00 0.66 0.00 0.00 57.16 56.62 1blr n GLU 73 Cb 0.58 1.19 -0.14 0.00 0.27 0.00 0.00 31.44 33.34 1blr n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1blr s GLN 74 N -2.03 0.88 0.00 5.31 -0.21 -1.25 -1.76 119.66 120.62 1blr s GLN 74 Ca 0.17 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.98 1blr s GLN 74 Cb -0.01 -0.86 0.00 0.00 1.00 0.00 0.00 33.01 33.14 1blr s GLN 74 CO 0.02 0.22 0.00 0.25 -2.12 0.00 0.00 175.29 173.66 1blr n THR 75 N 2.33 0.00 0.07 -0.19 -2.24 -1.13 -4.83 114.28 108.29 1blr n THR 75 Ca -0.16 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1blr n THR 75 Cb 0.55 -0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.28 1blr n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1blr h VAL 76 N -1.69 1.00 -0.39 2.28 2.07 -1.99 -3.45 116.25 114.08 1blr h VAL 76 Ca 0.00 -2.61 -0.07 0.00 0.82 0.00 0.00 66.70 64.84 1blr h VAL 76 Cb 0.00 2.75 -0.15 0.00 -1.52 0.00 0.00 31.29 32.37 1blr h VAL 76 CO 0.00 0.84 -0.26 0.47 0.02 0.00 0.00 177.57 178.64 1blr n ASP 77 N -3.53 -2.17 0.00 0.57 8.00 -1.26 -5.10 116.55 113.06 1blr n ASP 77 Ca -0.22 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1blr n ASP 77 Cb 1.06 1.14 0.00 0.00 -0.02 0.00 0.00 41.12 43.30 1blr n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1blr n GLY 78 N 2.48 -1.23 3.86 0.44 0.00 -1.26 -5.16 105.19 104.31 1blr n GLY 78 Ca 0.12 0.70 -0.27 0.00 0.00 0.00 0.00 46.02 46.57 1blr n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1blr s ARG 79 N 1.27 2.25 0.65 1.61 0.52 -1.26 -5.00 118.95 118.98 1blr s ARG 79 Ca 0.00 -2.07 -0.11 0.00 -0.52 0.00 0.00 55.73 53.03 1blr s ARG 79 Cb 0.00 -1.97 0.15 0.00 0.52 0.00 0.00 34.95 33.65 1blr s ARG 79 CO 0.00 -0.50 0.75 -0.35 0.02 0.00 0.00 175.30 175.22 1blr n PRO 80 N -1.60 -1.37 -3.65 3.54 -0.04 -1.26 -2.83 135.00 127.79 1blr n PRO 80 Ca -0.05 -1.17 -0.03 0.00 -0.04 0.00 0.00 63.50 62.21 1blr n PRO 80 Cb 0.65 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 33.15 1blr n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1blr n LYS 82 N 2.43 1.82 -3.88 0.00 2.85 -0.30 -0.22 118.16 120.87 1blr n LYS 82 Ca -0.14 -0.54 -0.14 0.00 -1.05 0.00 0.00 58.31 56.44 1blr n LYS 82 Cb 0.57 0.14 -0.03 0.00 -0.65 0.00 0.00 35.03 35.06 1blr n LYS 82 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1blr n SER 83 N -1.05 -1.24 -3.40 -5.58 3.41 -0.97 -1.65 113.62 103.14 1blr n SER 83 Ca -0.03 -2.82 0.02 0.00 -0.26 0.00 0.00 58.87 55.77 1blr n SER 83 Cb 0.09 2.35 -0.04 0.00 -0.26 0.00 0.00 64.21 66.35 1blr n SER 83 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1blr s LEU 84 N 0.00 -0.58 0.24 1.04 0.20 -1.11 -2.02 118.68 116.46 1blr s LEU 84 Ca 0.28 0.78 -0.09 0.00 0.69 0.00 0.00 54.13 55.80 1blr s LEU 84 Cb -0.01 1.65 -0.07 0.00 -0.43 0.00 0.00 46.19 47.34 1blr s LEU 84 CO 0.20 -0.11 0.56 -0.69 -0.29 0.00 0.00 176.35 176.02 1blr s VAL 85 N 2.46 4.94 0.00 1.68 1.01 -1.20 -1.85 120.40 127.44 1blr s VAL 85 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1blr s VAL 85 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1blr s VAL 85 CO -0.17 -0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.09 1blr n LYS 86 N -0.30 0.00 -3.73 2.72 4.76 -0.80 -4.51 118.16 116.31 1blr n LYS 86 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1blr n LYS 86 Cb 0.53 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.67 1blr n LYS 86 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1blr n TRP 87 N 0.00 0.71 0.03 2.13 7.02 -1.26 -1.82 117.44 124.25 1blr n TRP 87 Ca 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 57.50 54.84 1blr n TRP 87 Cb 0.00 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 28.69 1blr n TRP 87 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1blr n GLU 88 N -0.81 0.00 0.01 -0.99 4.07 0.15 -4.51 120.64 118.57 1blr n GLU 88 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 1blr n GLU 88 Cb 0.42 -0.07 0.00 0.00 -0.06 0.00 0.00 31.44 31.73 1blr n GLU 88 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1blr n SER 89 N -2.78 0.04 0.00 4.31 3.41 -1.23 -4.99 113.62 112.38 1blr n SER 89 Ca 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1blr n SER 89 Cb 0.05 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1blr n SER 89 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1blr n GLU 90 N -2.80 0.00 -0.05 4.33 0.28 -1.26 -4.91 120.64 116.23 1blr n GLU 90 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1blr n GLU 90 Cb 0.19 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.14 1blr n GLU 90 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1blr n ASN 91 N 0.00 2.27 -4.18 -1.84 4.13 -1.26 -4.69 115.26 109.69 1blr n ASN 91 Ca 0.00 -1.64 -0.31 0.00 1.68 0.00 0.00 54.58 54.31 1blr n ASN 91 Cb 0.00 -0.07 -0.17 0.00 -1.54 0.00 0.00 39.78 38.00 1blr n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1blr s LYS 92 N -0.99 2.85 0.13 3.52 2.47 -1.26 -2.21 119.74 124.25 1blr s LYS 92 Ca 0.17 -0.80 0.04 0.00 -1.56 0.00 0.00 55.97 53.81 1blr s LYS 92 Cb 0.11 -2.21 -0.04 0.00 -1.46 0.00 0.00 37.83 34.22 1blr s LYS 92 CO 0.15 0.10 -0.09 0.00 0.16 0.00 0.00 175.35 175.67 1blr s MET 93 N 0.53 1.00 0.27 4.03 0.00 -0.50 0.34 119.30 124.97 1blr s MET 93 Ca -0.15 -1.41 0.00 0.00 0.00 0.00 0.00 55.69 54.13 1blr s MET 93 Cb -0.17 -0.53 -0.00 0.00 0.00 0.00 0.00 34.83 34.13 1blr s MET 93 CO 0.05 0.06 0.00 1.33 0.00 0.00 0.00 175.02 176.46 1blr n VAL 94 N -0.12 0.00 -2.73 5.16 0.24 -0.75 -1.25 118.33 118.87 1blr n VAL 94 Ca -0.11 -1.30 -0.05 0.00 -2.04 0.00 0.00 64.34 60.84 1blr n VAL 94 Cb 0.60 0.27 0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1blr n VAL 94 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1blr s GLU 96 N 0.74 3.36 -0.21 0.00 2.12 -0.77 -1.55 118.70 122.38 1blr s GLU 96 Ca 0.29 1.56 -0.10 0.00 0.36 0.00 0.00 54.97 57.08 1blr s GLU 96 Cb 0.12 -4.21 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 1blr s GLU 96 CO -0.13 -1.83 0.14 -0.65 -0.54 0.00 0.00 175.26 172.26 1blr s GLN 97 N 5.66 4.14 0.28 4.30 -0.21 -0.47 -2.74 119.66 130.62 1blr s GLN 97 Ca 0.83 -0.23 0.07 0.00 0.02 0.00 0.00 55.36 56.04 1blr s GLN 97 Cb -0.25 -3.47 -0.06 0.00 1.00 0.00 0.00 33.01 30.24 1blr s GLN 97 CO 0.34 0.21 -0.06 -1.59 -2.12 0.00 0.00 175.29 172.07 1blr s LYS 98 N 0.63 1.56 -0.34 2.91 -2.85 -0.66 -2.74 119.74 118.26 1blr s LYS 98 Ca 0.08 -1.79 0.08 0.00 -1.00 0.00 0.00 55.97 53.34 1blr s LYS 98 Cb -0.12 -1.17 0.62 0.00 -2.06 0.00 0.00 37.83 35.11 1blr s LYS 98 CO 0.01 0.04 1.70 1.47 0.10 0.00 0.00 175.35 178.66 1blr n LEU 99 N -0.59 5.47 -0.60 2.77 -0.00 -1.26 -1.14 117.00 121.65 1blr n LEU 99 Ca -0.05 -3.52 -0.08 0.00 -0.00 0.00 0.00 56.01 52.36 1blr n LEU 99 Cb 0.63 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 43.30 1blr n LEU 99 CO 0.40 1.03 -0.07 0.18 -0.00 0.00 0.00 177.39 178.92 1blr n LEU 100 N -0.85 0.06 0.00 1.47 4.77 -1.26 -4.30 117.00 116.89 1blr n LEU 100 Ca 0.43 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1blr n LEU 100 Cb 1.33 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1blr n LEU 100 CO 0.39 -1.03 0.00 0.29 -1.33 0.00 0.00 177.39 175.71 1blr n LYS 101 N -0.26 0.00 -2.33 3.23 5.02 -1.26 -5.08 118.16 117.49 1blr n LYS 101 Ca -0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 1blr n LYS 101 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1blr n LYS 101 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1blr s GLY 102 N 0.00 2.91 -0.13 0.72 0.00 -1.26 -4.93 107.32 104.63 1blr s GLY 102 Ca 0.00 1.04 0.10 0.00 0.00 0.00 0.00 44.72 45.86 1blr s GLY 102 CO 0.00 1.74 0.32 -1.84 0.00 0.00 0.00 173.10 173.32 1blr n GLU 103 N 1.47 0.67 0.00 2.90 0.28 -1.26 -4.98 120.64 119.72 1blr n GLU 103 Ca 0.01 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1blr n GLU 103 Cb 0.44 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.65 1blr n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1blr n GLY 104 N 1.77 -0.27 0.00 -1.84 0.00 -1.26 -5.15 105.19 98.44 1blr n GLY 104 Ca -0.28 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1blr n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1blr n PRO 105 N -0.14 1.09 -3.78 1.61 -0.04 -1.26 -5.05 135.00 127.43 1blr n PRO 105 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1blr n PRO 105 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1blr n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1blr s LYS 106 N -0.07 1.17 0.32 0.54 2.20 -1.26 -4.82 119.74 117.81 1blr s LYS 106 Ca 0.00 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1blr s LYS 106 Cb 0.00 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1blr s LYS 106 CO 0.00 -0.54 0.27 0.95 -0.36 0.00 0.00 175.35 175.68 1blr s THR 107 N -2.85 3.73 0.00 3.43 -4.23 -1.11 -1.52 115.64 113.10 1blr s THR 107 Ca 0.15 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1blr s THR 107 Cb -0.01 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1blr s THR 107 CO 0.03 -0.21 0.00 -1.54 -0.54 0.00 0.00 174.62 172.36 1blr n SER 108 N -1.34 0.00 -3.61 3.99 3.41 -1.08 -1.37 113.62 113.63 1blr n SER 108 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.44 1blr n SER 108 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1blr n SER 108 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1blr s TRP 109 N -2.00 -0.69 -0.18 7.33 1.48 -0.60 0.14 118.94 124.42 1blr s TRP 109 Ca 0.00 1.59 -0.01 0.00 -1.06 0.00 0.00 56.10 56.62 1blr s TRP 109 Cb 0.00 0.32 0.05 0.00 -1.16 0.00 0.00 33.47 32.68 1blr s TRP 109 CO 0.00 -0.40 -0.02 0.95 -4.06 0.00 0.00 176.95 173.42 1blr s THR 110 N -0.01 0.95 -0.09 0.66 -4.23 -0.59 0.10 115.64 112.44 1blr s THR 110 Ca -0.02 -0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.60 1blr s THR 110 Cb -0.04 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1blr s THR 110 CO 0.01 -0.01 0.68 -0.13 -0.54 0.00 0.00 174.62 174.63 1blr s ARG 111 N 1.68 4.40 0.07 3.99 0.52 -0.38 -2.14 118.95 127.09 1blr s ARG 111 Ca -0.01 0.82 0.06 0.00 -0.52 0.00 0.00 55.73 56.09 1blr s ARG 111 Cb -0.16 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 1blr s ARG 111 CO -0.07 0.03 -0.16 -2.00 0.02 0.00 0.00 175.30 173.11 1blr s GLU 112 N 0.93 0.97 0.34 3.54 2.12 -0.54 -1.41 118.70 124.64 1blr s GLU 112 Ca 0.36 -0.96 0.08 0.00 0.36 0.00 0.00 54.97 54.80 1blr s GLU 112 Cb -0.17 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.13 1blr s GLU 112 CO 0.16 0.25 0.28 -0.51 -0.54 0.00 0.00 175.26 174.90 1blr s LEU 113 N -1.59 3.55 -0.19 2.70 2.01 -0.94 -0.79 118.68 123.42 1blr s LEU 113 Ca 0.02 -0.53 -0.12 0.00 0.01 0.00 0.00 54.13 53.51 1blr s LEU 113 Cb -0.09 -2.15 0.06 0.00 0.01 0.00 0.00 46.19 44.02 1blr s LEU 113 CO 0.02 -0.35 0.48 -0.89 1.01 0.00 0.00 176.35 176.62 1blr s THR 114 N -2.32 -0.02 0.00 5.49 2.01 0.28 -4.86 115.64 116.22 1blr s THR 114 Ca 0.41 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1blr s THR 114 Cb -0.05 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.76 1blr s THR 114 CO 0.26 0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.81 1blr n ASN 115 N 4.05 0.00 -2.65 3.53 4.13 -1.26 -2.07 115.26 120.98 1blr n ASN 115 Ca -0.21 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 55.99 1blr n ASN 115 Cb 0.56 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.89 1blr n ASN 115 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1blr n ASP 116 N 3.68 -1.62 0.00 6.41 5.75 -1.26 -4.95 116.55 124.55 1blr n ASP 116 Ca 0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1blr n ASP 116 Cb 0.00 0.95 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 1blr n ASP 116 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1blr n GLY 117 N -0.65 0.08 3.48 6.12 0.00 -1.12 -4.97 105.19 108.12 1blr n GLY 117 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1blr n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1blr s GLU 118 N 0.00 3.20 -0.38 1.61 2.02 -0.88 -2.81 118.70 121.46 1blr s GLU 118 Ca 0.00 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.29 1blr s GLU 118 Cb 0.00 -4.05 0.07 0.00 0.10 0.00 0.00 34.13 30.25 1blr s GLU 118 CO 0.00 -1.21 0.16 -1.17 0.02 0.00 0.00 175.26 173.06 1blr s LEU 119 N 2.91 4.76 -0.40 1.80 0.20 -0.83 0.99 118.68 128.11 1blr s LEU 119 Ca 0.20 -1.53 -0.18 0.00 0.69 0.00 0.00 54.13 53.31 1blr s LEU 119 Cb -0.17 -1.86 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1blr s LEU 119 CO 0.15 -0.44 0.48 0.27 -0.29 0.00 0.00 176.35 176.52 1blr s ILE 120 N 1.31 5.03 -0.23 6.68 -5.25 0.03 -0.21 121.20 128.55 1blr s ILE 120 Ca 0.02 -0.10 -0.06 0.00 -0.99 0.00 0.00 60.65 59.52 1blr s ILE 120 Cb -0.22 -4.04 -0.02 0.00 2.95 0.00 0.00 42.46 41.14 1blr s ILE 120 CO -0.00 -0.39 0.01 -0.22 -1.79 0.00 0.00 174.94 172.55 1blr s LEU 121 N 2.30 3.18 0.21 0.37 1.98 -1.03 -1.47 118.68 124.22 1blr s LEU 121 Ca 0.15 -0.29 0.05 0.00 -2.89 0.00 0.00 54.13 51.15 1blr s LEU 121 Cb -0.16 -1.83 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 1blr s LEU 121 CO 0.14 -0.02 0.25 -0.89 -1.89 0.00 0.00 176.35 173.95 1blr s THR 122 N 1.51 4.87 -0.36 3.68 2.01 -0.91 -3.12 115.64 123.32 1blr s THR 122 Ca 0.06 -1.09 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1blr s THR 122 Cb -0.15 -3.59 0.18 0.00 0.01 0.00 0.00 72.50 68.96 1blr s THR 122 CO 0.00 -0.26 0.59 -0.32 -0.69 0.00 0.00 174.62 173.95 1blr s MET 123 N -3.65 0.70 0.99 4.92 0.00 -0.82 -1.54 119.30 119.90 1blr s MET 123 Ca 0.33 -0.00 -0.13 0.00 0.00 0.00 0.00 55.69 55.89 1blr s MET 123 Cb -0.09 0.08 0.18 0.00 0.00 0.00 0.00 34.83 35.00 1blr s MET 123 CO 0.27 -1.13 1.11 0.95 0.00 0.00 0.00 175.02 176.21 1blr s THR 124 N 2.20 1.97 -0.30 10.11 -4.23 0.12 -2.16 115.64 123.35 1blr s THR 124 Ca 0.14 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1blr s THR 124 Cb -0.07 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.37 1blr s THR 124 CO -0.15 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.03 1blr s ALA 125 N -3.08 -3.98 -1.28 3.99 0.00 -0.65 -2.65 121.76 114.11 1blr s ALA 125 Ca 0.65 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 1blr s ALA 125 Cb -0.17 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1blr s ALA 125 CO 0.56 -1.89 0.19 -3.47 0.00 0.00 0.00 175.76 171.16 1blr n ASP 126 N 5.23 -4.85 0.00 0.00 2.03 -0.58 -2.04 116.55 116.35 1blr n ASP 126 Ca 0.03 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1blr n ASP 126 Cb 0.57 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 1blr n ASP 126 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1blr n ASP 127 N -1.21 0.00 -4.57 1.67 2.03 -1.25 -4.45 116.55 108.77 1blr n ASP 127 Ca -0.15 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.88 1blr n ASP 127 Cb 0.62 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.15 1blr n ASP 127 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1blr s VAL 128 N -2.33 2.07 -0.26 5.18 -7.23 -0.87 -4.80 120.40 112.16 1blr s VAL 128 Ca 0.00 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1blr s VAL 128 Cb 0.00 -2.96 0.14 0.00 0.56 0.00 0.00 36.38 34.13 1blr s VAL 128 CO 0.00 0.00 0.50 -0.69 -0.31 0.00 0.00 175.10 174.60 1blr s VAL 129 N -3.60 -0.80 -0.72 1.32 1.01 -1.26 -1.63 120.40 114.71 1blr s VAL 129 Ca 0.67 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 1blr s VAL 129 Cb -0.07 -0.87 0.14 0.00 0.00 0.00 0.00 36.38 35.57 1blr s VAL 129 CO 0.49 -0.02 0.81 0.00 0.00 0.00 0.00 175.10 176.38 1blr s THR 131 N 2.13 3.82 -0.08 0.00 2.01 -1.26 -1.94 115.64 120.32 1blr s THR 131 Ca 0.17 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 1blr s THR 131 Cb -0.17 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.61 1blr s THR 131 CO -0.01 0.38 0.22 0.00 -0.69 0.00 0.00 174.62 174.52 1blr s ARG 132 N 1.52 0.23 0.64 4.92 1.70 -1.18 -4.34 118.95 122.44 1blr s ARG 132 Ca 0.06 0.35 -0.11 0.00 -0.47 0.00 0.00 55.73 55.56 1blr s ARG 132 Cb -0.15 0.04 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1blr s ARG 132 CO 0.00 -0.07 1.04 0.08 -1.08 0.00 0.00 175.30 175.27 1blr s VAL 133 N 0.45 4.49 0.30 4.99 1.01 0.26 -2.47 120.40 129.43 1blr s VAL 133 Ca -0.03 0.82 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1blr s VAL 133 Cb -0.04 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1blr s VAL 133 CO -0.02 -1.05 0.19 -0.31 0.00 0.00 0.00 175.10 173.91 1blr s TYR 134 N -3.12 1.57 0.11 5.22 1.51 0.70 -0.78 117.35 122.56 1blr s TYR 134 Ca 0.56 -1.46 -0.07 0.00 -1.01 0.00 0.00 57.07 55.10 1blr s TYR 134 Cb -0.12 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1blr s TYR 134 CO 0.54 -0.64 0.16 0.08 -1.11 0.00 0.00 175.55 174.58 1blr s VAL 135 N -3.65 0.13 -0.30 0.71 1.01 -1.13 -1.96 120.40 115.22 1blr s VAL 135 Ca 0.37 -1.42 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1blr s VAL 135 Cb 0.04 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1blr s VAL 135 CO 0.19 -0.59 0.91 -0.13 0.00 0.00 0.00 175.10 175.48 1blr s ARG 136 N -3.92 4.05 0.00 2.72 0.52 -1.12 -1.53 118.95 119.67 1blr s ARG 136 Ca 0.11 0.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1blr s ARG 136 Cb 0.05 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1blr s ARG 136 CO -0.07 -0.73 0.41 -1.91 0.02 0.00 0.00 175.30 173.02